O2-hexadecyl O1-propyl benzene-1,2-dicarboxylate

Systemtic Name: O2-hexadecyl O1-propyl benzene-1,2-dicarboxylate Openeye Name: O2-hexadecyl O1-propyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-hexadecyl ester O1-propyl ester IUPAC Name: 2-O-hexadecyl 1-O-propyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-cetyl ester O1-propyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC

InChI

InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31-27(29)25-21-18-17-20-24(25)26(28)30-22-4-2/h17-18,20-21H,3-16,19,22-23H2,1-2H3